Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wfa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 GLN 17.A OE1 no hydrogen 3.220 N/A GLN 3.A N PHE 16.A O no hydrogen 2.765 N/A GLN 3.A NE2 MET 1.A O no hydrogen 2.897 N/A LYS 4.A NZ THR 15.A OG1 no hydrogen 2.844 N/A LEU 5.A N MET 14.A O no hydrogen 2.847 N/A SER 7.A N LEU 12.A O no hydrogen 2.987 N/A SER 7.A OG ASP 9.A OD1 no hydrogen 2.757 N/A ASP 9.A N ASN 112.A OD1 no hydrogen 2.725 N/A ASN 10.A N SER 7.A O no hydrogen 2.885 N/A ASN 11.A N ASP 9.A OD1 no hydrogen 2.721 N/A LEU 12.A N SER 7.A OG no hydrogen 3.081 N/A VAL 13.A N THR 29.A O no hydrogen 3.084 N/A MET 14.A N LEU 5.A O no hydrogen 2.744 N/A THR 15.A N GLU 27.A O no hydrogen 3.066 N/A PHE 16.A N GLN 3.A O no hydrogen 2.852 N/A GLN 17.A N THR 25.A O no hydrogen 3.001 N/A ASP 19.A N ALA 23.A O no hydrogen 3.014 N/A LYS 21.A N ASP 19.A OD1 no hydrogen 2.738 N/A LYS 21.A NZ ASP 58.A OD1 no hydrogen 3.470 N/A LYS 21.A NZ ASP 58.A OD2 no hydrogen 2.874 N/A GLY 22.A N ASP 19.A O no hydrogen 2.944 N/A ALA 23.A N ASP 19.A OD1 no hydrogen 2.941 N/A THR 25.A N GLN 17.A O no hydrogen 2.744 N/A THR 25.A OG1 ALA 23.A O no hydrogen 2.945 N/A TYR 26.A N SER 39.A O no hydrogen 2.833 N/A TYR 26.A OH GLN 138.A O no hydrogen 2.785 N/A GLU 27.A N THR 15.A O no hydrogen 3.033 N/A LEU 28.A N ILE 36.A O no hydrogen 2.895 N/A THR 29.A N VAL 13.A O no hydrogen 3.063 N/A TYR 30.A N LYS 33.A O no hydrogen 2.739 N/A LYS 31.A N ASN 11.A O no hydrogen 2.689 N/A LYS 31.A NZ TYR 30.A OH no hydrogen 3.408 N/A LYS 31.A NZ ASP 259.A OD2 no hydrogen 2.555 N/A LYS 33.A N TYR 30.A O no hydrogen 2.783 N/A LYS 33.A NZ ASP 201.A O no hydrogen 2.725 N/A VAL 35.A N LEU 28.A O no hydrogen 2.763 N/A ILE 36.A N LEU 28.A O no hydrogen 2.943 N/A LYS 37.A N GLY 140.A O no hydrogen 2.947 N/A SER 39.A N TYR 26.A O no hydrogen 2.795 N/A SER 39.A OG LYS 37.A O no hydrogen 2.722 N/A THR 40.A N GLN 138.A OE1 no hydrogen 3.141 N/A LEU 41.A N PRO 24.A O no hydrogen 2.953 N/A GLY 42.A N TYR 119.A OH no hydrogen 2.877 N/A LEU 43.A N LEU 56.A O no hydrogen 2.987 N/A GLU 44.A N GLU 134.A O no hydrogen 2.941 N/A LEU 45.A N THR 54.A O no hydrogen 2.728 N/A LYS 46.A N VAL 131.A O no hydrogen 2.792 N/A LYS 46.A NZ ASP 240.A OD1 no hydrogen 3.405 N/A LYS 46.A NZ ASP 240.A OD2 no hydrogen 2.757 N/A SER 52.A N LEU 50.A O no hydrogen 2.654 N/A SER 52.A OG ASN 100.A OD1 no hydrogen 2.554 N/A LYS 53.A NZ GLU 48.A OE1 no hydrogen 2.654 N/A LYS 53.A NZ GLU 48.A OE2 no hydrogen 2.839 N/A THR 54.A N ASP 51.A O no hydrogen 3.262 N/A THR 54.A OG1 ASP 51.A O no hydrogen 2.870 N/A ASN 55.A N SER 52.A O no hydrogen 2.991 N/A ASN 55.A ND2 ASP 58.A OD1 no hydrogen 2.804 N/A LEU 56.A N LEU 43.A O no hydrogen 3.065 N/A TYR 57.A N ASN 55.A OD1 no hydrogen 2.898 N/A ASP 58.A N ASN 55.A OD1 no hydrogen 3.075 N/A GLY 59.A N LYS 21.A O no hydrogen 2.962 N/A PHE 60.A N GLY 22.A O no hydrogen 3.036 N/A GLU 61.A N TYR 96.A O no hydrogen 2.701 N/A LYS 63.A N THR 94.A O no hydrogen 2.838 N/A ASP 64.A N THR 94.A O no hydrogen 3.378 N/A GLN 66.A N ALA 92.A O no hydrogen 2.826 N/A GLN 66.A NE2 ASP 64.A OD1 no hydrogen 2.836 N/A GLN 66.A NE2 THR 94.A OG1 no hydrogen 3.181 N/A ALA 68.A N GLU 90.A O no hydrogen 3.110 N/A THR 69.A OG1 ASN 89.A OD1 no hydrogen 2.825 N/A PHE 70.A N TYR 88.A O no hydrogen 2.959 N/A GLU 72.A N ASN 86.A O no hydrogen 3.113 N/A TRP 74.A N ILE 84.A O no hydrogen 2.878 N/A TRP 74.A NE1 ASN 272.A OD1 no hydrogen 2.800 N/A GLN 75.A NE2 GLU 83.A OE2 no hydrogen 3.404 N/A TRP 78.A NE1 PRO 484.A O no hydrogen 2.905 N/A GLY 79.A N ASP 587.A OD2 no hydrogen 2.951 N/A LYS 82.A N ASP 589.A O no hydrogen 2.830 N/A ILE 84.A N TRP 74.A O no hydrogen 2.793 N/A ARG 85.A NE ASP 71.A OD2 no hydrogen 2.910 N/A ARG 85.A NH2 ASP 71.A OD1 no hydrogen 2.873 N/A ARG 85.A NH2 ASP 71.A OD2 no hydrogen 3.446 N/A ASN 86.A N GLU 72.A O no hydrogen 2.795 N/A ASN 86.A ND2 ASN 272.A O no hydrogen 3.375 N/A TYR 88.A N PHE 70.A O no hydrogen 2.933 N/A ASN 89.A N LEU 110.A O no hydrogen 3.087 N/A ASN 89.A ND2 THR 6.A O no hydrogen 2.717 N/A GLU 90.A N ALA 68.A O no hydrogen 2.635 N/A LEU 91.A N PHE 108.A O no hydrogen 2.906 N/A ALA 92.A N GLN 66.A O no hydrogen 2.750 N/A VAL 93.A N ILE 106.A O no hydrogen 2.960 N/A THR 94.A N ASP 64.A O no hydrogen 2.687 N/A LEU 95.A N ILE 104.A O no hydrogen 2.828 N/A TYR 96.A N GLU 61.A O no hydrogen 2.788 N/A TYR 96.A OH ASP 101.A OD2 no hydrogen 2.716 N/A GLN 97.A N ARG 102.A O no hydrogen 2.894 N/A GLN 97.A NE2 ASN 55.A O no hydrogen 2.936 N/A GLN 97.A NE2 ASP 58.A O no hydrogen 2.806 N/A ASN 100.A N GLN 97.A O no hydrogen 3.148 N/A ASN 100.A ND2 SER 52.A O no hydrogen 2.880 N/A ASN 100.A ND2 GLN 97.A OE1 no hydrogen 2.798 N/A ASP 101.A N PRO 98.A O no hydrogen 3.117 N/A ARG 102.A N GLN 97.A O no hydrogen 3.485 N/A ARG 102.A NE GLN 97.A OE1 no hydrogen 2.897 N/A ARG 102.A NH1 LYS 53.A O no hydrogen 3.283 N/A ARG 102.A NH2 LYS 53.A O no hydrogen 2.699 N/A ARG 102.A NH2 ASN 55.A O no hydrogen 2.583 N/A ARG 102.A NH2 GLN 97.A OE1 no hydrogen 3.493 N/A SER 103.A N GLN 124.A OE1 no hydrogen 2.895 N/A ILE 104.A N LEU 95.A O no hydrogen 2.947 N/A VAL 105.A N GLU 120.A O no hydrogen 2.916 N/A ILE 106.A N VAL 93.A O no hydrogen 3.057 N/A ARG 107.A N ARG 118.A O no hydrogen 3.060 N/A ARG 107.A NE GLU 120.A OE2 no hydrogen 2.651 N/A ARG 107.A NH1 GLU 90.A OE2 no hydrogen 2.862 N/A ARG 107.A NH2 GLU 120.A OE1 no hydrogen 2.845 N/A ARG 107.A NH2 GLU 120.A OE2 no hydrogen 3.530 N/A PHE 108.A N LEU 91.A O no hydrogen 2.847 N/A ARG 109.A N GLY 116.A O no hydrogen 2.811 N/A ARG 109.A NE GLU 90.A OE1 no hydrogen 2.844 N/A ARG 109.A NH2 GLU 90.A OE1 no hydrogen 3.416 N/A LEU 110.A N ASN 89.A O no hydrogen 2.901 N/A PHE 111.A N GLY 114.A O no hydrogen 2.760 N/A GLY 114.A N PHE 111.A O no hydrogen 3.341 N/A LEU 115.A N ILE 255.A O no hydrogen 2.793 N/A GLY 116.A N ARG 109.A O no hydrogen 2.917 N/A PHE 117.A N ARG 253.A O no hydrogen 2.917 N/A ARG 118.A N ARG 107.A O no hydrogen 3.202 N/A ARG 118.A NE GLU 120.A OE2 no hydrogen 2.838 N/A ARG 118.A NH2 GLU 120.A OE2 no hydrogen 2.954 N/A TYR 119.A N THR 250.A OG1 no hydrogen 3.111 N/A TYR 119.A OH SER 137.A OG no hydrogen 2.563 N/A GLU 120.A N VAL 105.A O no hydrogen 2.630 N/A PHE 121.A N CYS 248.A O no hydrogen 2.742 N/A GLN 124.A NE2 SER 103.A O no hydrogen 2.751 N/A GLN 124.A NE2 PRO 122.A O no hydrogen 3.005 N/A SER 126.A OG ASN 100.A O no hydrogen 3.410 N/A LEU 127.A N GLN 124.A O no hydrogen 3.207 N/A PHE 130.A N MET 244.A O no hydrogen 3.061 N/A ILE 132.A N GLY 242.A O no hydrogen 2.794 N/A LYS 133.A N GLU 44.A O no hydrogen 2.892 N/A GLU 134.A N GLU 44.A O no hydrogen 3.261 N/A HIS 136.A N GLY 42.A O no hydrogen 2.626 N/A HIS 136.A ND1 GLU 230.A OE2 no hydrogen 2.617 N/A SER 137.A N SER 231.A OG no hydrogen 2.836 N/A SER 137.A OG TYR 119.A OH no hydrogen 2.563 N/A SER 137.A OG GLU 135.A OE2 no hydrogen 2.653 N/A GLN 138.A N THR 40.A O no hydrogen 2.989 N/A GLN 138.A NE2 GLU 230.A OE1 no hydrogen 3.030 N/A PHE 139.A N PHE 229.A O no hydrogen 2.782 N/A GLY 140.A N SER 39.A OG no hydrogen 2.849 N/A MET 141.A N MET 227.A O no hydrogen 2.941 N/A ILE 146.A N LYS 198.A O no hydrogen 2.983 N/A ALA 147.A N SER 164.A O no hydrogen 2.664 N/A PHE 148.A N MET 196.A O no hydrogen 2.917 N/A TRP 149.A N THR 162.A O no hydrogen 2.978 N/A TRP 149.A NE1 SER 164.A OG no hydrogen 3.127 N/A GLY 152.A N GLY 190.A O no hydrogen 2.742 N/A TYR 154.A N THR 184.A O no hydrogen 3.090 N/A ASP 155.A N ASP 153.A OD1 no hydrogen 2.651 N/A THR 156.A N ASP 153.A OD1 no hydrogen 3.106 N/A GLN 157.A NE2 ALA 473.A O no hydrogen 2.994 N/A GLU 158.A N THR 156.A OG1 no hydrogen 3.110 N/A TYR 159.A OH ASP 153.A OD2 no hydrogen 2.616 N/A THR 162.A N TRP 149.A O no hydrogen 2.883 N/A SER 164.A N ALA 147.A O no hydrogen 3.058 N/A SER 164.A OG ARG 165.A O no hydrogen 3.178 N/A ARG 165.A N GLU 168.A OE2 no hydrogen 3.031 N/A ARG 165.A NH1 ASP 144.A O no hydrogen 2.883 N/A ARG 165.A NH1 ASP 200.A OD1 no hydrogen 2.800 N/A ARG 165.A NH1 ASP 200.A OD2 no hydrogen 3.507 N/A ARG 165.A NH2 ASP 200.A OD1 no hydrogen 3.159 N/A LEU 166.A N HIS 145.A O no hydrogen 2.957 N/A SER 167.A N ASP 144.A OD1 no hydrogen 2.883 N/A SER 167.A OG ASP 144.A OD1 no hydrogen 3.487 N/A SER 167.A OG ASP 144.A OD2 no hydrogen 2.517 N/A GLU 168.A N ARG 165.A O no hydrogen 2.947 N/A ILE 169.A N LEU 166.A O no hydrogen 3.289 N/A ARG 170.A NE ASP 224.A OD2 no hydrogen 2.978 N/A ARG 170.A NH1 GLN 188.A OE1 no hydrogen 3.176 N/A ARG 170.A NH2 ASP 224.A OD1 no hydrogen 2.919 N/A LEU 172.A N GLU 168.A O no hydrogen 3.177 N/A LEU 172.A N ILE 169.A O no hydrogen 2.890 N/A MET 173.A N ILE 169.A O no hydrogen 2.870 N/A LYS 174.A NZ GLU 175.A OE2 no hydrogen 3.563 N/A ALA 176.A N LEU 172.A O no hydrogen 2.991 N/A ILE 177.A N MET 173.A O no hydrogen 3.032 N/A ASN 180.A N GLN 183.A OE1 no hydrogen 3.305 N/A ASN 180.A ND2 GLU 158.A OE1 no hydrogen 3.298 N/A SER 182.A N ASN 180.A OD1 no hydrogen 2.972 N/A GLN 183.A NE2 TYR 159.A OH no hydrogen 2.815 N/A GLN 183.A NE2 THR 178.A O no hydrogen 2.864 N/A THR 184.A N ASP 153.A OD1 no hydrogen 2.750 N/A THR 184.A OG1 ASP 155.A OD2 no hydrogen 2.672 N/A SER 187.A OG THR 189.A OG1 no hydrogen 3.344 N/A SER 187.A OG ASN 221.A OD1 no hydrogen 2.610 N/A THR 189.A N SER 187.A OG no hydrogen 3.040 N/A THR 189.A OG1 SER 187.A OG no hydrogen 3.344 N/A THR 189.A OG1 ASN 221.A OD1 no hydrogen 3.355 N/A THR 189.A OG1 LEU 222.A O no hydrogen 2.726 N/A GLY 190.A N SER 187.A O no hydrogen 3.203 N/A VAL 191.A N LEU 220.A O no hydrogen 2.783 N/A GLN 192.A N ILE 150.A O no hydrogen 3.264 N/A GLN 192.A NE2 PRO 151.A O no hydrogen 2.868 N/A GLN 192.A NE2 THR 156.A O no hydrogen 2.846 N/A THR 193.A OG1 HIS 208.A ND1 no hydrogen 2.826 N/A LEU 195.A N LEU 207.A O no hydrogen 2.902 N/A MET 197.A N ILE 205.A O no hydrogen 2.783 N/A LYS 198.A N ILE 146.A O no hydrogen 2.882 N/A LYS 198.A NZ GLU 597.A OE2 no hydrogen 3.212 N/A THR 199.A N LEU 203.A O no hydrogen 2.792 N/A THR 199.A OG1 ASP 201.A OD2 no hydrogen 2.562 N/A THR 199.A OG1 LEU 203.A O no hydrogen 3.344 N/A GLY 202.A N THR 199.A O no hydrogen 3.296 N/A LEU 203.A N THR 199.A OG1 no hydrogen 2.781 N/A TYR 204.A N SER 258.A O no hydrogen 2.918 N/A TYR 204.A OH GLU 597.A OE1 no hydrogen 2.571 N/A ILE 205.A N MET 197.A O no hydrogen 2.884 N/A ASN 206.A N ILE 256.A O no hydrogen 2.892 N/A LEU 207.A N LEU 195.A O no hydrogen 2.944 N/A HIS 208.A N THR 254.A O no hydrogen 3.075 N/A HIS 208.A ND1 THR 193.A OG1 no hydrogen 2.826 N/A ALA 210.A N TRP 252.A O no hydrogen 2.885 N/A ALA 211.A N THR 477.A O no hydrogen 2.915 N/A LEU 212.A N THR 477.A OG1 no hydrogen 2.958 N/A TYR 215.A OH GLU 135.A OE1 no hydrogen 2.669 N/A SER 216.A OG THR 234.A O no hydrogen 2.460 N/A CYS 217.A N TYR 446.A O no hydrogen 3.077 N/A CYS 217.A SG GLU 209.A OE2 no hydrogen 3.918 N/A CYS 217.A SG MET 218.A O no hydrogen 3.914 N/A MET 218.A N GLU 209.A OE2 no hydrogen 2.946 N/A HIS 219.A N TRP 232.A O no hydrogen 2.858 N/A HIS 219.A NE2 THR 234.A OG1 no hydrogen 2.827 N/A LEU 220.A N VAL 191.A O no hydrogen 2.892 N/A ASN 221.A N GLU 230.A O no hydrogen 2.923 N/A LEU 222.A N THR 189.A O no hydrogen 2.835 N/A ASP 223.A N VAL 228.A O no hydrogen 2.893 N/A LYS 225.A N ASP 223.A OD1 no hydrogen 2.882 N/A ASN 226.A N ASP 223.A OD1 no hydrogen 3.118 N/A ASN 226.A ND2 ASP 223.A OD2 no hydrogen 2.839 N/A VAL 228.A N ASP 223.A O no hydrogen 3.115 N/A PHE 229.A N PHE 139.A O no hydrogen 3.118 N/A GLU 230.A N ASN 221.A O no hydrogen 2.993 N/A SER 231.A N SER 137.A O no hydrogen 2.892 N/A SER 231.A OG GLU 135.A O no hydrogen 2.840 N/A TRP 232.A N HIS 219.A O no hydrogen 2.862 N/A TRP 232.A NE1 TYR 154.A OH no hydrogen 2.774 N/A THR 234.A N CYS 217.A O no hydrogen 3.126 N/A THR 234.A OG1 CYS 217.A O no hydrogen 3.168 N/A THR 234.A OG1 HIS 219.A NE2 no hydrogen 2.827 N/A ASP 236.A N ASP 240.A O no hydrogen 2.779 N/A ALA 237.A N GLU 443.A OE2 no hydrogen 2.790 N/A LYS 238.A N ASP 236.A OD1 no hydrogen 2.856 N/A GLY 239.A N ASP 236.A O no hydrogen 3.046 N/A ASP 240.A N ASP 236.A OD1 no hydrogen 2.915 N/A LYS 241.A N ILE 132.A O no hydrogen 2.840 N/A LYS 241.A NZ GLU 134.A OE1 no hydrogen 3.007 N/A LYS 241.A NZ GLU 134.A OE2 no hydrogen 3.049 N/A LYS 241.A NZ LEU 233.A O no hydrogen 2.800 N/A TYR 243.A N GLN 448.A OE1 no hydrogen 2.851 N/A TYR 243.A OH ASP 240.A OD2 no hydrogen 3.301 N/A MET 244.A N PHE 130.A O no hydrogen 2.819 N/A THR 246.A N ASN 128.A O no hydrogen 2.863 N/A THR 246.A OG1 LEU 127.A O no hydrogen 2.646 N/A THR 246.A OG1 ASN 128.A O no hydrogen 3.514 N/A CYS 248.A N PHE 121.A O no hydrogen 3.172 N/A THR 250.A N TYR 119.A O no hydrogen 2.989 N/A THR 250.A OG1 PRO 251.A O no hydrogen 2.859 N/A TRP 252.A N ALA 210.A O no hydrogen 2.881 N/A ARG 253.A N PHE 117.A O no hydrogen 2.700 N/A ARG 253.A NE GLU 135.A OE2 no hydrogen 2.820 N/A ARG 253.A NH1 GLU 209.A OE1 no hydrogen 3.060 N/A ARG 253.A NH1 TRP 252.A O no hydrogen 3.285 N/A ARG 253.A NH2 GLU 135.A OE1 no hydrogen 2.839 N/A ARG 253.A NH2 GLU 135.A OE2 no hydrogen 3.355 N/A THR 254.A N HIS 208.A O no hydrogen 2.836 N/A ILE 255.A N LEU 115.A O no hydrogen 2.777 N/A ILE 256.A N ASN 206.A O no hydrogen 2.977 N/A VAL 257.A N ASP 113.A O no hydrogen 2.925 N/A SER 258.A N TYR 204.A O no hydrogen 3.307 N/A SER 258.A OG ASP 260.A O no hydrogen 3.373 N/A SER 258.A OG ASN 263.A OD1 no hydrogen 3.174 N/A ASP 259.A N TYR 30.A OH no hydrogen 3.196 N/A ASP 260.A N SER 258.A OG no hydrogen 3.073 N/A ARG 262.A N ASP 260.A OD1 no hydrogen 2.809 N/A ARG 262.A NE ASP 260.A OD1 no hydrogen 3.056 N/A ARG 262.A NE ASP 260.A OD2 no hydrogen 3.230 N/A ARG 262.A NH1 LEU 594.A O no hydrogen 2.983 N/A ARG 262.A NH2 ASP 260.A OD2 no hydrogen 2.797 N/A ASN 263.A N ASP 260.A O no hydrogen 2.929 N/A ILE 264.A N ALA 261.A O no hydrogen 3.037 N/A ALA 266.A N ARG 262.A O no hydrogen 3.091 N/A SER 267.A N ASN 263.A O no hydrogen 3.008 N/A SER 267.A OG ASP 113.A OD2 no hydrogen 2.620 N/A ARG 268.A NE GLU 81.A OE1 no hydrogen 2.674 N/A ARG 268.A NE GLU 81.A OE2 no hydrogen 3.146 N/A ARG 268.A NH1 LEU 265.A O no hydrogen 2.892 N/A ARG 268.A NH1 SER 267.A O no hydrogen 2.856 N/A ARG 268.A NH2 GLU 81.A OE2 no hydrogen 2.803 N/A ARG 268.A NH2 TYR 593.A OH no hydrogen 2.800 N/A ILE 269.A N SER 267.A OG no hydrogen 3.367 N/A ASN 272.A N ARG 268.A O no hydrogen 2.861 N/A ASN 272.A ND2 ARG 85.A O no hydrogen 3.101 N/A LEU 273.A N ILE 269.A O no hydrogen 2.996 N/A LEU 273.A N THR 270.A O no hydrogen 3.324 N/A ASN 274.A N LEU 271.A O no hydrogen 3.030 N/A ASN 274.A ND2 THR 270.A O no hydrogen 2.832 N/A ASN 274.A ND2 THR 477.A O no hydrogen 2.813 N/A CYS 277.A SG ILE 279.A O no hydrogen 3.205 N/A LYS 278.A N THR 482.A O no hydrogen 2.835 N/A ALA 282.A N ILE 279.A O no hydrogen 3.084 N/A SER 284.A N ASP 281.A O no hydrogen 2.780 N/A SER 284.A OG ASP 281.A O no hydrogen 2.538 N/A TRP 285.A N ALA 282.A O no hydrogen 3.028 N/A TRP 285.A NE1 ASP 281.A OD1 no hydrogen 3.243 N/A VAL 286.A N ALA 282.A O no hydrogen 2.760 N/A VAL 289.A N PRO 560.A O no hydrogen 2.753 N/A LYS 290.A N ASP 350.A OD2 no hydrogen 2.866 N/A LYS 290.A NZ ILE 581.A O no hydrogen 2.725 N/A LYS 290.A NZ VAL 584.A O no hydrogen 2.607 N/A TYR 291.A N GLN 562.A O no hydrogen 2.817 N/A TYR 291.A OH ASP 522.A OD2 no hydrogen 2.746 N/A ILE 292.A N ALA 351.A O no hydrogen 3.264 N/A VAL 294.A N LEU 353.A O no hydrogen 2.802 N/A ILE 299.A N TRP 295.A O no hydrogen 3.142 N/A THR 300.A N TRP 296.A O no hydrogen 2.984 N/A THR 300.A OG1 TRP 296.A O no hydrogen 2.950 N/A THR 300.A OG1 ASP 297.A O no hydrogen 3.146 N/A GLY 301.A N MET 298.A O no hydrogen 3.076 N/A GLY 303.A N ASP 297.A O no hydrogen 2.907 N/A SER 304.A N LYS 329.A O no hydrogen 2.780 N/A SER 304.A OG ALA 306.A O no hydrogen 3.045 N/A TRP 305.A NE1 GLU 355.A OE1 no hydrogen 2.992 N/A TYR 307.A N GLU 362.A OE2 no hydrogen 2.811 N/A THR 308.A N GLU 362.A OE2 no hydrogen 3.120 N/A THR 308.A OG1 LYS 325.A O no hydrogen 2.764 N/A GLU 310.A N THR 308.A OG1 no hydrogen 3.180 N/A VAL 314.A N ASP 363.A OD2 no hydrogen 2.769 N/A LYS 315.A N THR 319.A OG1 no hydrogen 2.907 N/A GLU 318.A N LYS 315.A O no hydrogen 2.898 N/A THR 319.A N LYS 315.A O no hydrogen 2.889 N/A THR 319.A OG1 LYS 315.A O no hydrogen 3.358 N/A TYR 321.A OH GLU 362.A OE1 no hydrogen 2.525 N/A SER 322.A N ASP 320.A OD1 no hydrogen 3.198 N/A SER 322.A OG ASP 320.A OD1 no hydrogen 2.549 N/A LYS 323.A N ASP 320.A O no hydrogen 2.988 N/A THR 324.A N TYR 321.A O no hydrogen 3.053 N/A THR 324.A OG1 TYR 321.A O no hydrogen 2.681 N/A LYS 325.A N GLU 310.A OE1 no hydrogen 3.054 N/A ASN 327.A N TYR 307.A O no hydrogen 3.142 N/A ASN 327.A ND2 SER 304.A OG no hydrogen 3.115 N/A ASN 327.A ND2 ALA 306.A O no hydrogen 3.091 N/A ASN 327.A ND2 ASP 309.A OD2 no hydrogen 2.937 N/A LYS 329.A N ASN 327.A OD1 no hydrogen 2.653 N/A LYS 329.A NZ ASP 309.A OD1 no hydrogen 2.802 N/A HIS 330.A ND1 ASP 381.A OD2 no hydrogen 2.635 N/A HIS 330.A NE2 GLY 356.A O no hydrogen 2.587 N/A SER 331.A OG ASP 297.A OD2 no hydrogen 2.916 N/A ASN 333.A N SER 331.A O no hydrogen 2.863 N/A ASN 333.A ND2 HIS 330.A O no hydrogen 2.962 N/A THR 334.A N ASP 381.A O no hydrogen 2.842 N/A THR 334.A OG1 ASP 381.A O no hydrogen 3.227 N/A ASN 336.A N ASN 333.A OD1 no hydrogen 2.946 N/A ASN 336.A ND2 SER 331.A O no hydrogen 2.909 N/A VAL 337.A N ASN 333.A O no hydrogen 2.959 N/A LYS 338.A N THR 334.A O no hydrogen 2.929 N/A ARG 339.A N ALA 335.A O no hydrogen 3.268 N/A ARG 339.A NH2 ASN 336.A OD1 no hydrogen 2.741 N/A TYR 340.A N ASN 336.A O no hydrogen 3.201 N/A ILE 341.A N VAL 337.A O no hydrogen 2.946 N/A ASP 342.A N LYS 338.A O no hydrogen 2.904 N/A PHE 343.A N ARG 339.A O no hydrogen 3.197 N/A ALA 344.A N TYR 340.A O no hydrogen 2.826 N/A ALA 345.A N ILE 341.A O no hydrogen 2.970 N/A ALA 346.A N ASP 342.A O no hydrogen 2.822 N/A HIS 347.A N PHE 343.A O no hydrogen 3.003 N/A GLY 348.A N ALA 345.A O no hydrogen 3.477 N/A PHE 349.A N ALA 344.A O no hydrogen 2.837 N/A ASP 350.A N LYS 290.A O no hydrogen 2.841 N/A ALA 351.A N LYS 290.A O no hydrogen 3.347 N/A VAL 352.A N LYS 397.A O no hydrogen 2.971 N/A LEU 353.A N ILE 292.A O no hydrogen 2.855 N/A GLU 355.A N VAL 294.A O no hydrogen 3.359 N/A TRP 357.A NE1 HIS 401.A O no hydrogen 3.240 N/A GLU 359.A N THR 377.A O no hydrogen 2.858 N/A GLY 360.A N TYR 321.A OH no hydrogen 3.153 N/A TRP 361.A NE1 ASN 358.A OD1 no hydrogen 3.013 N/A GLU 362.A N GLU 362.A OE1 no hydrogen 2.771 N/A ASP 363.A N GLY 360.A O no hydrogen 3.128 N/A TRP 364.A N TRP 361.A O no hydrogen 3.167 N/A ASN 367.A ND2 ASP 363.A O no hydrogen 2.891 N/A LYS 369.A NZ VAL 314.A O no hydrogen 2.622 N/A LYS 369.A NZ ASP 363.A OD2 no hydrogen 3.081 N/A VAL 376.A N ASP 374.A OD1 no hydrogen 2.928 N/A THR 377.A N ASP 374.A OD1 no hydrogen 2.973 N/A THR 377.A OG1 ASP 374.A OD1 no hydrogen 3.474 N/A THR 377.A OG1 ASP 374.A OD2 no hydrogen 2.443 N/A TYR 379.A N TRP 357.A O no hydrogen 2.975 N/A TYR 379.A OH GLU 362.A OE1 no hydrogen 2.676 N/A TYR 379.A OH GLU 362.A OE2 no hydrogen 3.143 N/A PHE 382.A N TYR 379.A O no hydrogen 3.169 N/A ASP 383.A N THR 334.A OG1 no hydrogen 2.891 N/A GLU 386.A N ASP 383.A OD1 no hydrogen 2.944 N/A ILE 387.A N ASP 383.A O no hydrogen 2.865 N/A HIS 388.A N VAL 384.A O no hydrogen 2.954 N/A ARG 389.A N LYS 385.A O no hydrogen 2.920 N/A ARG 389.A NE GLU 386.A OE1 no hydrogen 3.024 N/A ARG 389.A NE GLU 386.A OE2 no hydrogen 3.502 N/A ARG 389.A NH2 GLU 386.A OE2 no hydrogen 3.027 N/A TYR 390.A N GLU 386.A O no hydrogen 3.032 N/A TYR 390.A OH ASP 342.A OD1 no hydrogen 2.627 N/A ALA 391.A N ILE 387.A O no hydrogen 2.930 N/A ALA 392.A N HIS 388.A O no hydrogen 2.917 N/A ARG 393.A N ARG 389.A O no hydrogen 3.071 N/A LYS 394.A N TYR 390.A O no hydrogen 3.004 N/A GLY 395.A N ALA 392.A O no hydrogen 2.963 N/A ILE 396.A N ALA 391.A O no hydrogen 2.797 N/A LYS 397.A N ASP 350.A O no hydrogen 3.053 N/A LYS 397.A NZ GLY 426.A O no hydrogen 2.984 N/A MET 399.A N VAL 352.A O no hydrogen 2.834 N/A MET 400.A N SER 429.A O no hydrogen 2.945 N/A HIS 401.A ND1 LYS 431.A O no hydrogen 3.185 N/A HIS 402.A N LYS 431.A O no hydrogen 2.689 N/A HIS 402.A ND1 TYR 411.A OH no hydrogen 2.867 N/A THR 404.A N GLY 433.A O no hydrogen 2.903 N/A THR 404.A OG1 GLY 433.A O no hydrogen 2.732 N/A SER 405.A N GLU 403.A OE2 no hydrogen 2.717 N/A SER 405.A OG TRP 364.A O no hydrogen 2.732 N/A ALA 406.A N THR 404.A OG1 no hydrogen 3.070 N/A SER 407.A N THR 404.A O no hydrogen 3.095 N/A SER 407.A OG LYS 369.A O no hydrogen 3.486 N/A SER 407.A OG ASP 370.A O no hydrogen 2.592 N/A VAL 408.A N ILE 439.A O no hydrogen 2.907 N/A ARG 409.A NH2 ASP 370.A OD2 no hydrogen 2.894 N/A ASN 410.A ND2 PHE 373.A O no hydrogen 2.902 N/A TYR 411.A N SER 407.A O no hydrogen 3.227 N/A TYR 411.A OH HIS 402.A ND1 no hydrogen 2.867 N/A GLU 412.A N VAL 408.A O no hydrogen 2.974 N/A ARG 413.A N ARG 409.A O no hydrogen 2.869 N/A HIS 414.A N ASN 410.A O no hydrogen 3.183 N/A HIS 414.A N TYR 411.A O no hydrogen 3.150 N/A HIS 414.A ND1 ASN 410.A O no hydrogen 2.703 N/A MET 415.A N GLU 412.A O no hydrogen 3.324 N/A ALA 418.A N HIS 414.A O no hydrogen 2.794 N/A TYR 419.A N MET 415.A O no hydrogen 2.834 N/A TYR 419.A OH ALA 457.A O no hydrogen 2.879 N/A GLN 420.A N ASP 416.A O no hydrogen 2.889 N/A GLN 420.A NE2 ASP 424.A OD1 no hydrogen 3.118 N/A PHE 421.A N LYS 417.A O no hydrogen 2.869 N/A MET 422.A N ALA 418.A O no hydrogen 3.061 N/A ALA 423.A N TYR 419.A O no hydrogen 2.954 N/A ASP 424.A N GLN 420.A O no hydrogen 2.787 N/A ASN 425.A N PHE 421.A O no hydrogen 3.023 N/A ASN 425.A N MET 422.A O no hydrogen 3.115 N/A ASN 425.A ND2 PHE 421.A O no hydrogen 2.835 N/A TYR 427.A N MET 422.A O no hydrogen 2.900 N/A VAL 430.A N MET 467.A O no hydrogen 2.920 N/A LYS 431.A N MET 400.A O no hydrogen 2.800 N/A LYS 431.A NZ GLU 355.A OE2 no hydrogen 2.628 N/A SER 432.A N ASN 469.A O no hydrogen 2.842 N/A GLY 433.A N HIS 402.A O no hydrogen 3.130 N/A TYR 434.A N GLU 472.A OE2 no hydrogen 2.869 N/A TYR 434.A OH HIS 453.A NE2 no hydrogen 2.704 N/A VAL 435.A N GLU 403.A OE2 no hydrogen 3.022 N/A ILE 439.A N ALA 406.A O no hydrogen 2.941 N/A ARG 441.A NE SER 368.A OG no hydrogen 2.820 N/A ARG 441.A NH1 SER 368.A O no hydrogen 3.053 N/A GLU 443.A N PRO 440.A O no hydrogen 3.344 N/A HIS 444.A ND1 ASP 155.A OD2 no hydrogen 2.861 N/A HIS 445.A N ASP 155.A OD1 no hydrogen 2.805 N/A HIS 445.A ND1 ASP 155.A OD1 no hydrogen 2.696 N/A HIS 445.A NE2 TYR 434.A O no hydrogen 2.759 N/A TYR 446.A N TYR 154.A O no hydrogen 3.344 N/A GLY 447.A N HIS 444.A O no hydrogen 3.481 N/A GLN 448.A NE2 TYR 243.A O no hydrogen 3.187 N/A ASN 451.A N GLY 447.A O no hydrogen 2.985 N/A ASN 451.A ND2 TYR 215.A O no hydrogen 2.880 N/A ASN 451.A ND2 TYR 446.A O no hydrogen 3.230 N/A ASN 452.A N GLN 448.A O no hydrogen 3.072 N/A HIS 453.A N TRP 449.A O no hydrogen 3.173 N/A HIS 453.A ND1 GLU 412.A OE2 no hydrogen 2.770 N/A HIS 453.A NE2 TYR 434.A OH no hydrogen 2.704 N/A TYR 454.A N MET 450.A O no hydrogen 2.849 N/A TYR 454.A OH HIS 445.A O no hydrogen 2.875 N/A LEU 455.A N ASN 451.A O no hydrogen 3.298 N/A TYR 456.A N ASN 452.A O no hydrogen 2.808 N/A ALA 457.A N HIS 453.A O no hydrogen 2.844 N/A VAL 458.A N TYR 454.A O no hydrogen 3.220 N/A LYS 459.A N LEU 455.A O no hydrogen 2.758 N/A LYS 460.A N TYR 456.A O no hydrogen 2.979 N/A LYS 460.A NZ ASP 416.A OD1 no hydrogen 3.534 N/A LYS 460.A NZ ASP 416.A OD2 no hydrogen 2.900 N/A LYS 460.A NZ TYR 456.A OH no hydrogen 3.171 N/A ALA 461.A N ALA 457.A O no hydrogen 3.008 N/A ALA 462.A N VAL 458.A O no hydrogen 2.998 N/A ASP 463.A N LYS 459.A O no hydrogen 3.399 N/A ASP 463.A N LYS 460.A O no hydrogen 2.998 N/A TYR 464.A N ALA 461.A O no hydrogen 2.991 N/A TYR 464.A OH ASP 416.A OD1 no hydrogen 2.706 N/A LYS 465.A N ALA 462.A O no hydrogen 2.995 N/A LYS 465.A NZ ASP 281.A OD2 no hydrogen 2.638 N/A ILE 466.A N ALA 461.A O no hydrogen 2.777 N/A MET 467.A N ASN 428.A O no hydrogen 2.932 N/A VAL 468.A N ASN 485.A O no hydrogen 2.765 N/A ASN 469.A N VAL 430.A O no hydrogen 2.964 N/A ASN 469.A ND2 HIS 471.A NE2 no hydrogen 3.672 N/A ASN 469.A ND2 ASP 522.A OD1 no hydrogen 2.933 N/A ALA 470.A N GLY 488.A O no hydrogen 3.037 N/A HIS 471.A N SER 432.A O no hydrogen 2.909 N/A HIS 471.A NE2 ASP 522.A OD1 no hydrogen 2.907 N/A THR 474.A OG1 HIS 445.A O no hydrogen 3.488 N/A THR 474.A OG1 ASN 451.A OD1 no hydrogen 2.556 N/A ARG 475.A NE THR 193.A O no hydrogen 2.875 N/A ARG 475.A NE THR 193.A OG1 no hydrogen 3.198 N/A ARG 475.A NH1 THR 193.A OG1 no hydrogen 2.872 N/A ARG 475.A NH1 GLU 209.A OE2 no hydrogen 2.637 N/A ARG 475.A NH2 ARG 475.A O no hydrogen 3.074 N/A GLY 478.A N GLY 518.A O no hydrogen 2.596 N/A ARG 481.A N GLY 478.A O no hydrogen 3.070 N/A ARG 481.A NH2 LEU 271.A O no hydrogen 3.327 N/A THR 482.A N ILE 479.A O no hydrogen 2.999 N/A THR 482.A OG1 GLU 275.A O no hydrogen 2.636 N/A TYR 483.A N ILE 479.A O no hydrogen 2.904 N/A ASN 485.A ND2 VAL 458.A O no hydrogen 3.112 N/A ASN 485.A ND2 ILE 466.A O no hydrogen 3.113 N/A LEU 486.A N TYR 483.A O no hydrogen 3.075 N/A ASN 489.A ND2 ALA 470.A O no hydrogen 2.993 N/A GLU 490.A N ALA 470.A O no hydrogen 3.361 N/A SER 491.A OG ALA 473.A O no hydrogen 2.573 N/A ARG 493.A NE ASN 503.A OD1 no hydrogen 2.749 N/A ARG 493.A NH1 GLY 502.A O no hydrogen 3.286 N/A ARG 493.A NH2 GLU 158.A O no hydrogen 2.887 N/A THR 495.A N TYR 523.A O no hydrogen 3.288 N/A THR 495.A OG1 TYR 523.A O no hydrogen 2.649 N/A THR 495.A OG1 THR 524.A O no hydrogen 3.110 N/A TYR 497.A N GLY 494.A O no hydrogen 3.217 N/A TYR 497.A OH GLU 158.A OE1 no hydrogen 2.873 N/A GLU 498.A N THR 495.A O no hydrogen 2.725 N/A SER 499.A N GLU 496.A O no hydrogen 2.958 N/A SER 499.A OG ILE 299.A O no hydrogen 3.249 N/A PHE 500.A N TYR 497.A O no hydrogen 2.888 N/A GLY 501.A N SER 541.A OG no hydrogen 2.804 N/A GLY 502.A N TYR 497.A O no hydrogen 2.820 N/A ASN 503.A N GLU 498.A OE2 no hydrogen 3.032 N/A ASN 503.A ND2 GLY 494.A O no hydrogen 2.915 N/A ASN 503.A ND2 TYR 523.A OH no hydrogen 3.268 N/A LYS 504.A N ASP 160.A OD1 no hydrogen 2.877 N/A LYS 504.A NZ TYR 161.A O no hydrogen 2.954 N/A LYS 504.A NZ TYR 506.A OH no hydrogen 3.354 N/A TYR 506.A OH TYR 161.A O no hydrogen 3.070 N/A HIS 507.A N LYS 504.A O no hydrogen 2.946 N/A HIS 507.A NE2 ARG 493.A O no hydrogen 2.811 N/A THR 508.A OG1 THR 619.A OG1 no hydrogen 2.754 N/A THR 509.A N TYR 506.A O no hydrogen 2.914 N/A THR 509.A OG1 TYR 506.A O no hydrogen 2.627 N/A ILE 510.A N HIS 507.A O no hydrogen 3.089 N/A LEU 511.A N HIS 507.A O no hydrogen 3.203 N/A PHE 513.A N ILE 510.A O no hydrogen 2.765 N/A THR 514.A N ILE 510.A O no hydrogen 3.194 N/A THR 514.A N LEU 511.A O no hydrogen 2.998 N/A THR 514.A OG1 TYR 161.A OH no hydrogen 2.672 N/A THR 514.A OG1 ILE 510.A O no hydrogen 3.316 N/A THR 514.A OG1 LEU 511.A O no hydrogen 3.540 N/A ARG 515.A NE GLU 490.A O no hydrogen 2.714 N/A ARG 515.A NH1 GLU 490.A O no hydrogen 2.824 N/A ARG 515.A NH1 PRO 520.A O no hydrogen 2.984 N/A ARG 515.A NH2 ARG 515.A O no hydrogen 3.000 N/A ARG 515.A NH2 GLY 519.A O no hydrogen 2.889 N/A ARG 515.A NH2 PRO 520.A O no hydrogen 3.466 N/A LEU 516.A N LEU 511.A O no hydrogen 3.001 N/A VAL 517.A N THR 514.A O no hydrogen 3.078 N/A GLY 519.A N LEU 516.A O no hydrogen 3.135 N/A ASP 522.A N ASN 489.A O no hydrogen 2.951 N/A THR 524.A OG1 TYR 523.A O no hydrogen 2.818 N/A THR 524.A OG1 THR 524.A O no hydrogen 2.483 N/A GLY 526.A N GLN 550.A OE1 no hydrogen 2.959 N/A ILE 527.A N GLN 550.A OE1 no hydrogen 3.036 N/A PHE 528.A N ASP 566.A OD1 no hydrogen 2.818 N/A GLU 529.A N ASP 566.A OD1 no hydrogen 3.008 N/A CYS 532.A N SER 541.A O no hydrogen 3.118 N/A CYS 532.A SG GLU 498.A O no hydrogen 3.951 N/A LYS 534.A N HIS 531.A O no hydrogen 3.068 N/A MET 535.A N CYS 532.A O no hydrogen 2.874 N/A ASN 536.A N CYS 532.A O no hydrogen 2.938 N/A ASN 536.A ND2 THR 300.A O no hydrogen 2.949 N/A ALA 538.A N ASN 536.A OD1 no hydrogen 3.169 N/A ASN 539.A N ASN 536.A O no hydrogen 2.748 N/A ASN 539.A ND2 THR 300.A O no hydrogen 3.225 N/A ASN 539.A ND2 SER 499.A O no hydrogen 3.257 N/A ASN 539.A ND2 SER 499.A OG no hydrogen 3.246 N/A SER 541.A N ASN 539.A OD1 no hydrogen 2.895 N/A SER 541.A OG GLU 498.A O no hydrogen 2.690 N/A GLN 542.A NE2 TRP 653.A O no hydrogen 3.134 N/A GLN 542.A NE2 LYS 654.A O no hydrogen 2.979 N/A VAL 543.A N THR 530.A O no hydrogen 2.884 N/A ARG 544.A N GLU 498.A OE2 no hydrogen 2.955 N/A ARG 544.A NH1 ASN 503.A O no hydrogen 2.818 N/A SER 545.A N VAL 543.A O no hydrogen 2.882 N/A SER 545.A OG THR 546.A O no hydrogen 2.673 N/A THR 546.A N GLY 680.A O no hydrogen 3.158 N/A THR 546.A OG1 ASP 647.A OD1 no hydrogen 2.669 N/A ILE 547.A N PRO 657.A O no hydrogen 2.837 N/A ARG 549.A N THR 546.A OG1 no hydrogen 3.167 N/A ARG 549.A NE SER 545.A OG no hydrogen 3.240 N/A ARG 549.A NH1 VAL 505.A O no hydrogen 2.952 N/A ARG 549.A NH1 ARG 544.A O no hydrogen 2.917 N/A ARG 549.A NH2 THR 619.A OG1 no hydrogen 2.736 N/A ARG 549.A NH2 ALA 620.A O no hydrogen 2.938 N/A GLN 550.A N THR 546.A O no hydrogen 3.336 N/A GLN 550.A NE2 SER 545.A OG no hydrogen 3.009 N/A LEU 551.A N ILE 547.A O no hydrogen 3.207 N/A ALA 552.A N ALA 548.A O no hydrogen 3.084 N/A LEU 553.A N ARG 549.A O no hydrogen 3.115 N/A TYR 554.A N LEU 551.A O no hydrogen 3.174 N/A TYR 554.A OH MET 563.A O no hydrogen 2.685 N/A VAL 555.A N ALA 552.A O no hydrogen 2.816 N/A THR 556.A N ALA 552.A O no hydrogen 2.906 N/A THR 556.A OG1 ALA 552.A O no hydrogen 3.457 N/A MET 557.A N LEU 553.A O no hydrogen 2.870 N/A SER 559.A OG MET 521.A O no hydrogen 3.499 N/A SER 559.A OG LEU 561.A O no hydrogen 2.689 N/A LEU 561.A N SER 559.A OG no hydrogen 2.995 N/A GLN 562.A N VAL 289.A O no hydrogen 2.948 N/A GLN 562.A NE2 MET 557.A O no hydrogen 3.145 N/A GLN 562.A NE2 SER 559.A O no hydrogen 3.117 N/A ALA 564.A N TYR 291.A O no hydrogen 2.785 N/A ALA 565.A N PRO 525.A O no hydrogen 3.061 N/A ASP 566.A N TYR 571.A OH no hydrogen 2.930 N/A ILE 567.A N ASP 566.A OD2 no hydrogen 2.823 N/A GLU 569.A N GLU 569.A OE2 no hydrogen 2.685 N/A ASN 570.A N ILE 567.A O no hydrogen 2.880 N/A ASN 570.A ND2 ASP 566.A OD2 no hydrogen 2.836 N/A TYR 571.A N ILE 567.A O no hydrogen 3.381 N/A TYR 571.A OH GLY 526.A O no hydrogen 2.549 N/A GLU 572.A N PRO 568.A O no hydrogen 2.982 N/A ARG 573.A N ASN 570.A O no hydrogen 3.182 N/A ARG 573.A NH1 GLU 529.A OE1 no hydrogen 2.482 N/A ARG 573.A NH2 GLU 529.A OE1 no hydrogen 2.997 N/A PHE 574.A N TYR 571.A O no hydrogen 3.041 N/A ALA 577.A N ASP 576.A OD1 no hydrogen 2.880 N/A PHE 578.A N PHE 574.A O no hydrogen 2.987 N/A GLN 579.A NE2 ASP 583.A OD1 no hydrogen 3.437 N/A GLN 579.A NE2 ASP 583.A OD2 no hydrogen 2.896 N/A PHE 580.A N ALA 577.A O no hydrogen 3.272 N/A LYS 582.A N PHE 578.A O no hydrogen 3.140 N/A LYS 582.A NZ HIS 347.A ND1 no hydrogen 3.027 N/A ASP 583.A N GLN 579.A O no hydrogen 2.862 N/A VAL 584.A N PHE 580.A O no hydrogen 2.835 N/A TRP 588.A N GLY 79.A O no hydrogen 3.367 N/A TRP 588.A N ASP 587.A OD2 no hydrogen 3.142 N/A ASP 589.A N LYS 607.A O no hydrogen 2.863 N/A THR 591.A OG1 GLU 80.A O no hydrogen 2.518 N/A ASN 592.A N ALA 605.A O no hydrogen 2.724 N/A TYR 593.A OH GLU 80.A OE1 no hydrogen 2.571 N/A LEU 594.A N THR 603.A O no hydrogen 2.887 N/A GLU 595.A N THR 603.A O no hydrogen 3.160 N/A GLU 597.A N TYR 601.A O no hydrogen 2.882 N/A GLY 599.A N THR 509.A O no hydrogen 3.133 N/A GLU 600.A N GLU 597.A O no hydrogen 2.948 N/A TYR 601.A N GLU 597.A O no hydrogen 3.085 N/A ILE 602.A N THR 619.A O no hydrogen 3.043 N/A THR 603.A N GLU 595.A O no hydrogen 2.699 N/A THR 603.A OG1 GLU 595.A OE2 no hydrogen 2.749 N/A ILE 604.A N GLY 617.A O no hydrogen 2.952 N/A ALA 605.A N ASN 592.A O no hydrogen 2.959 N/A ARG 606.A N TYR 615.A O no hydrogen 2.833 N/A ARG 606.A NE VAL 555.A O no hydrogen 2.795 N/A ARG 606.A NH1 GLU 80.A OE1 no hydrogen 2.822 N/A ARG 606.A NH1 THR 591.A OG1 no hydrogen 2.941 N/A ARG 606.A NH2 GLU 80.A OE1 no hydrogen 3.511 N/A ARG 606.A NH2 VAL 555.A O no hydrogen 2.901 N/A LYS 607.A N GLU 590.A O no hydrogen 2.805 N/A ALA 608.A N ASP 613.A O no hydrogen 2.927 N/A LYS 609.A N ASP 587.A O no hydrogen 3.000 N/A LYS 609.A NZ ASP 587.A OD1 no hydrogen 2.661 N/A ASP 610.A N ASP 589.A OD1 no hydrogen 2.773 N/A THR 611.A N ALA 608.A O no hydrogen 3.093 N/A THR 611.A OG1 ALA 608.A O no hydrogen 2.741 N/A ASP 613.A N THR 611.A OG1 no hydrogen 3.060 N/A TRP 614.A N ILE 687.A O no hydrogen 2.825 N/A TYR 615.A N ARG 606.A O no hydrogen 2.863 N/A VAL 616.A N ILE 685.A O no hydrogen 2.860 N/A GLY 617.A N ILE 604.A O no hydrogen 2.949 N/A CYS 618.A N TYR 683.A O no hydrogen 2.944 N/A CYS 618.A SG ILE 602.A O no hydrogen 4.044 N/A CYS 618.A SG THR 603.A OG1 no hydrogen 3.387 N/A THR 619.A N ILE 602.A O no hydrogen 3.026 N/A THR 619.A OG1 THR 508.A OG1 no hydrogen 2.754 N/A ALA 620.A N GLY 681.A O no hydrogen 2.966 N/A GLY 621.A N GLU 600.A O no hydrogen 2.780 N/A ASN 623.A ND2 GLU 600.A OE2 no hydrogen 3.291 N/A GLY 624.A N GLY 621.A O no hydrogen 3.147 N/A HIS 625.A N ALA 677.A O no hydrogen 2.853 N/A HIS 625.A NE2 GLU 595.A OE1 no hydrogen 2.650 N/A HIS 625.A NE2 GLU 595.A OE2 no hydrogen 3.156 N/A THR 626.A OG1 HIS 676.A ND1 no hydrogen 3.029 N/A SER 627.A N LEU 675.A O no hydrogen 2.726 N/A SER 627.A OG GLU 595.A OE2 no hydrogen 2.508 N/A SER 627.A OG TYR 683.A OH no hydrogen 3.003 N/A LEU 629.A N LEU 673.A O no hydrogen 2.732 N/A PHE 631.A N SER 671.A O no hydrogen 3.236 N/A LEU 634.A N PHE 631.A O no hydrogen 3.123 N/A THR 635.A N TYR 640.A OH no hydrogen 2.933 N/A LYS 638.A N THR 635.A O no hydrogen 3.352 N/A LYS 638.A NZ GLU 689.A OE1 no hydrogen 2.857 N/A TYR 640.A N LEU 667.A O no hydrogen 2.881 N/A ILE 641.A N LYS 688.A O no hydrogen 2.638 N/A ALA 642.A N GLY 665.A O no hydrogen 2.730 N/A THR 643.A N SER 686.A O no hydrogen 2.967 N/A VAL 644.A N LYS 663.A O no hydrogen 2.702 N/A TYR 645.A N ALA 684.A O no hydrogen 2.779 N/A ALA 646.A N THR 661.A O no hydrogen 3.028 N/A ALA 648.A N ALA 659.A O no hydrogen 3.096 N/A ALA 651.A N ALA 648.A O no hydrogen 3.031 N/A ASP 652.A N ASN 656.A O no hydrogen 2.885 N/A TRP 653.A N ASN 679.A O no hydrogen 3.077 N/A LYS 654.A N ASP 652.A OD2 no hydrogen 3.111 N/A GLU 655.A N ASP 652.A OD2 no hydrogen 2.849 N/A ASN 656.A N ASP 652.A O no hydrogen 2.991 N/A ASN 656.A ND2 ASP 650.A O no hydrogen 3.363 N/A GLN 658.A NE2 PHE 528.A O no hydrogen 3.089 N/A TYR 660.A OH ASP 576.A OD1 no hydrogen 2.708 N/A TYR 660.A OH ASP 576.A OD2 no hydrogen 3.244 N/A THR 661.A N ALA 646.A O no hydrogen 2.851 N/A LYS 663.A N VAL 644.A O no hydrogen 2.941 N/A GLY 665.A N ALA 642.A O no hydrogen 2.883 N/A ILE 666.A N LYS 700.A O no hydrogen 2.691 N/A LEU 667.A N TYR 640.A O no hydrogen 2.832 N/A THR 668.A N SER 671.A OG no hydrogen 2.949 N/A LYS 670.A N THR 668.A OG1 no hydrogen 3.110 N/A SER 671.A N THR 668.A O no hydrogen 2.949 N/A SER 671.A OG THR 668.A O no hydrogen 3.300 N/A LEU 673.A N LEU 629.A O no hydrogen 2.971 N/A LEU 675.A N SER 627.A O no hydrogen 3.016 N/A HIS 676.A ND1 THR 626.A OG1 no hydrogen 3.029 N/A ALA 677.A N HIS 625.A O no hydrogen 2.607 N/A ALA 678.A N ASP 647.A OD2 no hydrogen 3.049 N/A ASN 679.A ND2 ASP 652.A OD1 no hydrogen 2.736 N/A GLY 680.A N GLY 621.A O no hydrogen 3.071 N/A GLY 681.A N ALA 678.A O no hydrogen 2.780 N/A GLY 682.A N ASP 647.A OD2 no hydrogen 2.741 N/A TYR 683.A N CYS 618.A O no hydrogen 3.044 N/A TYR 683.A OH SER 627.A OG no hydrogen 3.003 N/A ALA 684.A N TYR 645.A O no hydrogen 2.835 N/A ILE 685.A N VAL 616.A O no hydrogen 2.800 N/A SER 686.A N THR 643.A O no hydrogen 3.103 N/A ILE 687.A N TRP 614.A O no hydrogen 2.716 N/A LYS 688.A N ILE 641.A O no hydrogen 2.991 N/A GLU 689.A N ASP 613.A OD1 no hydrogen 2.924 N/A VAL 690.A N GLN 639.A O no hydrogen 2.939 N/A LYS 691.A N GLU 695.A OE1 no hydrogen 2.462 N/A ASP 692.A N GLU 695.A OE1 no hydrogen 2.949 N/A SER 694.A N ASP 692.A OD1 no hydrogen 2.651 N/A GLU 695.A N ASP 692.A O no hydrogen 2.544 N/A ALA 696.A N LYS 693.A O no hydrogen 2.812 N/A LYS 697.A N LYS 693.A O no hydrogen 3.194 N/A LYS 697.A NZ LYS 693.A O no hydrogen 2.656 N/A LEU 699.A N ALA 696.A O no hydrogen 2.671 N/A ARG 701.A NH2 THR 668.A OG1 no hydrogen 3.391 N/A